Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319580964086071e+01 -2.319580964086080e+01 1.160000000000000e-12 9.237055564881302e-14 PASS
Energy [step 25] -2.306754404347958e+01 -2.306754404347960e+01 1.150000000000000e-12 2.131628207280301e-14 PASS
Energy [step 50] -2.306760129759909e+01 -2.306760129759910e+01 1.150000000000000e-13 1.065814103640150e-14 PASS
Energy [step 75] -2.306766261145403e+01 -2.306766261145400e+01 1.150000000000000e-11 -2.842170943040401e-14 PASS
Energy [step 100] -2.306771709393762e+01 -2.306771709393760e+01 1.150000000000000e-12 -1.776356839400250e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.378813412511302e-02 4.378813412511501e-02 5.110000000000000e-15 -1.991462550421375e-15 PASS
Lx [step 50] 7.223501819497703e-03 7.223501819495281e-03 5.350000000000000e-15 2.421673972463623e-15 PASS
Lx [step 75] -1.948269821028234e-02 -1.948269821028625e-02 8.660000000000000e-15 3.913536161803677e-15 PASS
Lx [step 100] -3.047203125192426e-02 -3.047203125192880e-02 6.000000000000000e-15 4.541506060107281e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808530e-02 -7.184641094808490e-02 4.130000000000000e-15 -4.024558464266192e-16 PASS
Ly [step 50] -7.117769255688550e-03 -7.117769255689680e-03 6.500000000000000e-15 1.130172344598890e-15 PASS
Ly [step 75] -4.172081222576322e-02 -4.172081222576260e-02 5.850000000000000e-15 -6.245004513516506e-16 PASS
Ly [step 100] -5.777213620121426e-02 -5.777213620121158e-02 9.120000000000000e-15 -2.678413046908190e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043644763e-02 -9.756204043644941e-02 4.880000000000000e-15 1.776356839400250e-15 PASS
Lz [step 50] 7.712993009734687e-03 7.712993009730000e-03 3.860000000000000e-13 4.686355470351344e-15 PASS
Lz [step 75] 7.208148635269748e-02 7.208148635269590e-02 8.660000000000000e-15 1.582067810090848e-15 PASS
Lz [step 100] 5.119310678838441e-02 5.119310678838490e-02 9.139999999999999e-15 -4.926614671774132e-16 PASS
Q(-2)[step 1] -4.545099285100731e+00 -4.545099285100750e+00 2.270000000000000e-13 1.865174681370263e-14 PASS
Q(-2)[step 25] -4.611640700089469e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.946887675165272e-11 PASS
Q(-2)[step 50] -4.687349753661741e+00 -4.687349753662680e+00 1.000000000000000e-12 9.388045896230324e-13 PASS
Q(-2)[step 75] -4.392410657028164e+00 -4.392410657028165e+00 4.390000000000000e-14 8.881784197001252e-16 PASS
Q(-2)[step 100] -4.181622432525416e+00 -4.181622432525399e+00 4.180000000000000e-14 -1.687538997430238e-14 PASS
Q(-1)[step 1] 4.178298639726155e+00 4.178298639726180e+00 2.090000000000000e-13 -2.486899575160351e-14 PASS
Q(-1)[step 25] 4.182239910020053e+00 4.182239910020090e+00 2.090000000000000e-13 -3.730349362740526e-14 PASS
Q(-1)[step 50] 4.130776137010005e+00 4.130776137010026e+00 4.130000000000000e-14 -2.042810365310288e-14 PASS
Q(-1)[step 75] 4.064950972547115e+00 4.064950972547106e+00 5.600000000000000e-14 8.881784197001252e-15 PASS
Q(-1)[step 100] 4.091822670232419e+00 4.091822670233270e+00 1.000000000000000e-12 -8.508749260727200e-13 PASS
Q( 0)[step 1] -7.137608303968204e+00 -7.137608303968200e+00 3.570000000000000e-12 -3.552713678800501e-15 PASS
Q( 0)[step 25] -7.469922011510200e+00 -7.469922011510200e+00 3.730000000000000e-13 0.000000000000000e+00 PASS
Q( 0)[step 50] -7.808731999289122e+00 -7.808731999289140e+00 3.900000000000000e-13 1.776356839400250e-14 PASS
Q( 0)[step 75] -7.739446597993706e+00 -7.739446597993680e+00 3.870000000000000e-13 -2.575717417130363e-14 PASS
Q( 0)[step 100] -7.648056564564776e+00 -7.648056564565430e+00 1.000000000000000e-12 6.545874953189923e-13 PASS
Q( 1)[step 1] -4.826111654801446e+00 -4.826111654803580e+00 2.370000000000000e-12 2.134292742539401e-12 PASS
Q( 1)[step 25] -4.732913242624235e+00 -4.732913242624240e+00 2.370000000000000e-13 4.440892098500626e-15 PASS
Q( 1)[step 50] -4.489489823162551e+00 -4.489489823162540e+00 2.240000000000000e-13 -1.154631945610163e-14 PASS
Q( 1)[step 75] -4.327519808485434e+00 -4.327519808485425e+00 4.590000000000000e-14 -8.881784197001252e-15 PASS
Q( 1)[step 100] -4.287582681175253e+00 -4.287582681175240e+00 2.140000000000000e-13 -1.243449787580175e-14 PASS
Q( 2)[step 1] 1.189101961133261e+01 1.189101961133255e+01 1.190000000000000e-13 6.572520305780927e-14 PASS
Q( 2)[step 25] 1.233968578911678e+01 1.233968578911680e+01 6.170000000000000e-13 -1.598721155460225e-14 PASS
Q( 2)[step 50] 1.278029271318789e+01 1.278029271318795e+01 1.280000000000000e-13 -5.684341886080801e-14 PASS
Q( 2)[step 75] 1.272948913185599e+01 1.272948913185600e+01 6.360000000000000e-12 -8.881784197001252e-15 PASS
Q( 2)[step 100] 1.255133064623375e+01 1.255133064623380e+01 6.280000000000001e-13 -4.440892098500626e-14 PASS
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